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121440-83-3 | Benzenemethanamine, N-[(1S,2E)-1-methyl-2-buten-1-yl]-
CAS No: 121440-83-3 Catalog No: AG0014ZM MDL No:
Product Description
Catalog Number:
AG0014ZM
Chemical Name:
Benzenemethanamine, N-[(1S,2E)-1-methyl-2-buten-1-yl]-
CAS Number:
121440-83-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
(E,2S)-N-benzylpent-3-en-2-amine
InChI:
InChI=1S/C12H17N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h3-9,11,13H,10H2,1-2H3/b7-3+/t11-/m0/s1
InChI Key:
MMIOBUCKGJTLLY-KTROKBFUSA-N
SMILES:
C/C=C/[C@@H](NCc1ccccc1)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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